Dauricumine
AlkaPlorer ID: AK005362
Synonym: None
IUPAC Name: (1S,4'R,6S,10R,11S)-11-chloro-4'-hydroxy-3',4,5-trimethoxy-7-methylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione
Structure
SMILES: COC1=CC(=O)[C@]2([C@@H](Cl)C[C@@]34C(OC)=C(OC)C(=O)C[C@@]23CCN4C)[C@H]1O
InChI: InChI=1S/C19H24ClNO6/c1-21-6-5-17-8-10(22)14(26-3)16(27-4)18(17,21)9-12(20)19(17)13(23)7-11(25-2)15(19)24/h7,12,15,24H,5-6,8-9H2,1-4H3/t12-,15-,17+,18+,19+/m0/s1
InChIKey: FSXRARBVZZKCGJ-WPLONRSQSA-N
Reference
Dechlorodauricumine from cultured roots of Menispermum dauricum
PubChem CID: 11741544
LOTUS: LTS0098192
SuperNatural Ⅲ: SN0094707-10
NPASS: NPC185590
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hypserpa nitida | Hypserpa | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Sinomenium acutum | Sinomenium | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 397.8550000000002
TPSA？: 85.30000000000001
MolLogP？: 0.9957
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Hepatitis B virus | Hepatitis B virus | IC50 | 1312000.0 | nM | 10.1016/j.bmcl.2007.08.027 |
| Hepatitis B virus | Hepatitis B virus | IC50 | 3291000.0 | nM | 10.1016/j.bmcl.2007.08.027 |
| None | NON-PROTEIN TARGET | CC50 | 2193000.0 | nM | 10.1016/j.bmcl.2007.08.027 |
| None | Unchecked | Ratio CC50/IC50 | 1.0 | None | 10.1016/j.bmcl.2007.08.027 |
| None | Unchecked | Ratio CC50/IC50 | 1.67 | None | 10.1016/j.bmcl.2007.08.027 |